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

C12H20N4OS — CID 119334066

IUPAC1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2(N)CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-8(2)10-16-15-9(18-10)7-14-11(17)12(13)5-3-4-6-12/h8H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyWDPZKZVGPSEXQZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.55
Rot. Bonds4

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

1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119334066) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119334066
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2(N)CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-8(2)10-16-15-9(18-10)7-14-11(17)12(13)5-3-4-6-12/h8H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyWDPZKZVGPSEXQZ-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 119334068
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 119891897
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
ethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 119887611
1-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 119328993

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide (CID 119334066) is 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide is CC(C)c1nnc(CNC(=O)C2(N)CCCC2)s1.
What is the InChIKey of 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is WDPZKZVGPSEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)10-16-15-9(18-10)7-14-11(17)12(13)5-3-4-6-12/h8H,3-7,13H2,1-2H3,(H,14,17).
What are the key properties of 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide?
1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).