4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

C19H27N5O4S — CID 7116596

IUPAC4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C19H27N5O4S/c1-5-7-12(17(26)22-19(2,3)4)24(10-11-8-6-9-28-11)18(27)15-13(20)14(16(21)25)23-29-15/h6,8-9,12H,5,7,10,20H2,1-4H3,(H2,21,25)(H,22,26)/t12-/m1/s1
InChIKeyOOVUODIRMIKMOU-GFCCVEGCSA-N
MW421.52 g/mol
LogP2.14
Rot. Bonds8

About 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 7116596) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID7116596
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C19H27N5O4S/c1-5-7-12(17(26)22-19(2,3)4)24(10-11-8-6-9-28-11)18(27)15-13(20)14(16(21)25)23-29-15/h6,8-9,12H,5,7,10,20H2,1-4H3,(H2,21,25)(H,22,26)/t12-/m1/s1
InChIKeyOOVUODIRMIKMOU-GFCCVEGCSA-N
XLogP2.14
TPSA144.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40581204
4-amino-5-N-[1-[4-(dimethylamino)phenyl]-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3189049
4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide
CID 4215450
4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 7116592
4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40620397
4-amino-5-N-[(2S)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40586830
4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179518
4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1S)-1-(1H-indol-3-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40616737
4-amino-5-N-[(2S)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40620243
4-amino-5-N-benzyl-5-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3174387
4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25304089
4-amino-5-N-[2-[(4-fluorophenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3188966

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (CID 7116596) is 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is OOVUODIRMIKMOU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-5-7-12(17(26)22-19(2,3)4)24(10-11-8-6-9-28-11)18(27)15-13(20)14(16(21)25)23-29-15/h6,8-9,12H,5,7,10,20H2,1-4H3,(H2,21,25)(H,22,26)/t12-/m1/s1.
What are the key properties of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 421.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 7116596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).