4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide

C14H22N4O3S — CID 95186054

IUPAC4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1nsc(C(=O)NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C14H22N4O3S/c1-8(2)6-16-13(19)11-10(15)12(22-18-11)14(20)17-7-9-4-3-5-21-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyJBDDPTJVUFVQGF-VIFPVBQESA-N
MW326.42 g/mol
LogP1.02
Rot. Bonds6

About 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 95186054) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID95186054
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1nsc(C(=O)NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C14H22N4O3S/c1-8(2)6-16-13(19)11-10(15)12(22-18-11)14(20)17-7-9-4-3-5-21-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyJBDDPTJVUFVQGF-VIFPVBQESA-N
XLogP1.02
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
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-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53335799
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
4-amino-3-N-cyclohexyl-5-N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-[[(2R)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 40586590
4-amino-3-N-cyclohexyl-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 40586415
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-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
4-amino-5-N-[(2R)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl]-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 40592854
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide (CID 95186054) is 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide is CC(C)CNC(=O)c1nsc(C(=O)NC[C@@H]2CCCO2)c1N.
What is the InChIKey of 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is JBDDPTJVUFVQGF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-8(2)6-16-13(19)11-10(15)12(22-18-11)14(20)17-7-9-4-3-5-21-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1.
What are the key properties of 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 95186054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).