3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide

C14H23N3OS — CID 119810798

IUPAC3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C14H23N3OS/c1-8(2)6-12-14(19-9(3)16-12)17-13(18)10-4-5-11(15)7-10/h8,10-11H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyCZRNFZVKXWKDAC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide

3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 119810798) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
PubChem CID119810798
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C14H23N3OS/c1-8(2)6-12-14(19-9(3)16-12)17-13(18)10-4-5-11(15)7-10/h8,10-11H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyCZRNFZVKXWKDAC-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 120593773
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
(3aR,6aS)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128617173
3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
CID 119810801
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637239
3-amino-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912547
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814773
ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677206

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide (CID 119810798) is 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide is Cc1nc(CC(C)C)c(NC(=O)C2CCC(N)C2)s1.
What is the InChIKey of 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide?
The InChIKey is CZRNFZVKXWKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8(2)6-12-14(19-9(3)16-12)17-13(18)10-4-5-11(15)7-10/h8,10-11H,4-7,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide?
3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119810798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).