trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide

C14H19N5O2S — CID 166303936

IUPACtrans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1csc([C@@H]2[C@@H](C(=O)N(C)Cc3n[nH]c(=O)[nH]3)C2(C)C)n1
InChIInChI=1S/C14H19N5O2S/c1-7-6-22-11(15-7)9-10(14(9,2)3)12(20)19(4)5-8-16-13(21)18-17-8/h6,9-10H,5H2,1-4H3,(H2,16,17,18,21)/t9-,10-/m0/s1
InChIKeyOGFGUQQTZPXLNM-UWVGGRQHSA-N
MW321.41 g/mol
LogP1.26
Rot. Bonds4

About trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide

trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 166303936) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID166303936
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Nametrans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1csc([C@@H]2[C@@H](C(=O)N(C)Cc3n[nH]c(=O)[nH]3)C2(C)C)n1
InChIInChI=1S/C14H19N5O2S/c1-7-6-22-11(15-7)9-10(14(9,2)3)12(20)19(4)5-8-16-13(21)18-17-8/h6,9-10H,5H2,1-4H3,(H2,16,17,18,21)/t9-,10-/m0/s1
InChIKeyOGFGUQQTZPXLNM-UWVGGRQHSA-N
XLogP1.26
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
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CID 154847590
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
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CID 135907141
3-(5-chloro-2-methylphenyl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
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N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
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N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
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2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 166303936) is trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide is Cc1csc([C@@H]2[C@@H](C(=O)N(C)Cc3n[nH]c(=O)[nH]3)C2(C)C)n1.
What is the InChIKey of trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OGFGUQQTZPXLNM-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-7-6-22-11(15-7)9-10(14(9,2)3)12(20)19(4)5-8-16-13(21)18-17-8/h6,9-10H,5H2,1-4H3,(H2,16,17,18,21)/t9-,10-/m0/s1.
What are the key properties of trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N,2,2-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166303936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).