4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide

C20H31N5O3S — CID 3179982

IUPAC4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C20H31N5O3S/c1-2-7-14(19(27)23-12-8-3-4-9-12)25(13-10-5-6-11-13)20(28)17-15(21)16(18(22)26)24-29-17/h12-14H,2-11,21H2,1H3,(H2,22,26)(H,23,27)
InChIKeyABMZQPNTMSXCHC-UHFFFAOYSA-N
MW421.57 g/mol
LogP2.44
Rot. Bonds8

About 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3179982) has the molecular formula C20H31N5O3S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3179982
Molecular FormulaC20H31N5O3S
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC Name4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C20H31N5O3S/c1-2-7-14(19(27)23-12-8-3-4-9-12)25(13-10-5-6-11-13)20(28)17-15(21)16(18(22)26)24-29-17/h12-14H,2-11,21H2,1H3,(H2,22,26)(H,23,27)
InChIKeyABMZQPNTMSXCHC-UHFFFAOYSA-N
XLogP2.44
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-N-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 51423680
4-amino-5-N-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 40620448
4-amino-5-N-(4-butoxyphenyl)-5-N-[(2S)-1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 40618491
4-amino-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40618540
4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180047
4-amino-5-N-(4-chlorophenyl)-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3180056
4-amino-5-N-(4-chlorophenyl)-5-N-[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 40631870
4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180040
4-amino-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40618535
4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3174524
4-amino-5-N-[1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3179923
4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-5-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide
CID 25459733

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide (CID 3179982) is 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide is CCCC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1.
What is the InChIKey of 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is ABMZQPNTMSXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S/c1-2-7-14(19(27)23-12-8-3-4-9-12)25(13-10-5-6-11-13)20(28)17-15(21)16(18(22)26)24-29-17/h12-14H,2-11,21H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 421.57 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).