2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 170575095

IUPAC2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)c1nc(C(N)=O)c(CNC2CCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-3-9(2)14-17-12(13(15)18)11(19-14)8-16-10-6-4-5-7-10/h9-10,16H,3-8H2,1-2H3,(H2,15,18)
InChIKeyVIVMQHVMTYGESA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.79
Rot. Bonds6

About 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide

2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 170575095) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide
PubChem CID170575095
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)c1nc(C(N)=O)c(CNC2CCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-3-9(2)14-17-12(13(15)18)11(19-14)8-16-10-6-4-5-7-10/h9-10,16H,3-8H2,1-2H3,(H2,15,18)
InChIKeyVIVMQHVMTYGESA-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82434732
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine
CID 65204956
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82434388
N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine
CID 114995759
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 170574556
N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
CID 50956481
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide (CID 170575095) is 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide is CCC(C)c1nc(C(N)=O)c(CNC2CCCC2)s1.
What is the InChIKey of 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VIVMQHVMTYGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-9(2)14-17-12(13(15)18)11(19-14)8-16-10-6-4-5-7-10/h9-10,16H,3-8H2,1-2H3,(H2,15,18).
What are the key properties of 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide?
2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[(cyclopentylamino)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170575095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).