N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

C17H24N6OS — CID 123691820

IUPACN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC1(n2cc(C(NC(=O)c3cscn3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H24N6OS/c1-18-17(7-8-17)23-9-13(21-22-23)15(12-5-3-2-4-6-12)20-16(24)14-10-25-11-19-14/h9-12,15,18H,2-8H2,1H3,(H,20,24)
InChIKeyICLAINUFFKQZRY-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.45
Rot. Bonds6

About N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 123691820) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID123691820
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC1(n2cc(C(NC(=O)c3cscn3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H24N6OS/c1-18-17(7-8-17)23-9-13(21-22-23)15(12-5-3-2-4-6-12)20-16(24)14-10-25-11-19-14/h9-12,15,18H,2-8H2,1H3,(H,20,24)
InChIKeyICLAINUFFKQZRY-UHFFFAOYSA-N
XLogP2.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-4-carboxamide
CID 69925138
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 71463174
3-[(4-isobutyl-1H-1,2,3-triazol-1-yl)methyl]-1-(1,3-thiazol-4-ylcarbonyl)piperidine
CID 45253276
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 56888786
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-4-carboxamide
CID 76028618
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide
CID 76028619
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide
CID 89641081
N-[cyclohexyl-[1-[1-(methyliminomethyl)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 123834870
[(3R)-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29188888
[(3S)-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29188889
4-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-1-(1,3-thiazol-4-ylcarbonyl)piperidine
CID 31018110
N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-4-carboxamide
CID 53378817

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 123691820) is N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is CNC1(n2cc(C(NC(=O)c3cscn3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ICLAINUFFKQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-18-17(7-8-17)23-9-13(21-22-23)15(12-5-3-2-4-6-12)20-16(24)14-10-25-11-19-14/h9-12,15,18H,2-8H2,1H3,(H,20,24).
What are the key properties of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123691820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).