cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C14H19N5OS — CID 97260092

IUPACcis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2c2ncn[nH]2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)10-6-21-11(18-10)5-15-13(20)9-4-8(9)12-16-7-17-19-12/h6-9H,4-5H2,1-3H3,(H,15,20)(H,16,17,19)/t8-,9+/m1/s1
InChIKeyGMVSWYWFDIXRIN-BDAKNGLRSA-N
MW305.41 g/mol
LogP1.98
Rot. Bonds4

About cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 97260092) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID97260092
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Namecis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2c2ncn[nH]2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)10-6-21-11(18-10)5-15-13(20)9-4-8(9)12-16-7-17-19-12/h6-9H,4-5H2,1-3H3,(H,15,20)(H,16,17,19)/t8-,9+/m1/s1
InChIKeyGMVSWYWFDIXRIN-BDAKNGLRSA-N
XLogP1.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97260090
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 146086644
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119878896
(4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97115265
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
N-tert-butyl-2-[[N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111839563

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 97260092) is cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2c2ncn[nH]2)n1.
What is the InChIKey of cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is GMVSWYWFDIXRIN-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)10-6-21-11(18-10)5-15-13(20)9-4-8(9)12-16-7-17-19-12/h6-9H,4-5H2,1-3H3,(H,15,20)(H,16,17,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97260092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).