4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide

C18H27N5O4S — CID 3174524

IUPAC4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C18H27N5O4S/c1-10(17(25)21-9-12-7-4-8-27-12)23(11-5-2-3-6-11)18(26)15-13(19)14(16(20)24)22-28-15/h10-12H,2-9,19H2,1H3,(H2,20,24)(H,21,25)
InChIKeyVCACURXZPWYMMA-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.89
Rot. Bonds7

About 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3174524) has the molecular formula C18H27N5O4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3174524
Molecular FormulaC18H27N5O4S
Molecular Weight409.51 g/mol
Exact Mass409.18
IUPAC Name4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C18H27N5O4S/c1-10(17(25)21-9-12-7-4-8-27-12)23(11-5-2-3-6-11)18(26)15-13(19)14(16(20)24)22-28-15/h10-12H,2-9,19H2,1H3,(H2,20,24)(H,21,25)
InChIKeyVCACURXZPWYMMA-UHFFFAOYSA-N
XLogP0.89
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3860553
4-amino-5-N-(4-ethylphenyl)-5-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40645713
4-amino-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25457897
4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 95186054
4-amino-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25450369
4-amino-5-N-(2-methylphenyl)-5-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25454153
4-amino-5-N-(4-methylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3433360
4-amino-5-N-cyclopentyl-5-N-[1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3179982
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25457948
4-amino-5-N-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-(3,5-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185721
4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25307870
4-amino-5-N-(2,3-dimethylphenyl)-5-N-[(1S)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25308354

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide (CID 3174524) is 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide is CC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1.
What is the InChIKey of 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is VCACURXZPWYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4S/c1-10(17(25)21-9-12-7-4-8-27-12)23(11-5-2-3-6-11)18(26)15-13(19)14(16(20)24)22-28-15/h10-12H,2-9,19H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 409.51 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3174524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).