[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate

C14H17F2N3O3S — CID 118437504

IUPAC[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
SMILESNC(=O)O[C@@H]1C[C@H]1c1csc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20)/t8-,10+/m0/s1
InChIKeyLPDHFBSNSHOHDI-WCBMZHEXSA-N
MW345.37 g/mol
LogP2.40
Rot. Bonds4

About [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate

[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate (PubChem CID 118437504) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
PubChem CID118437504
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC Name[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
SMILESNC(=O)O[C@@H]1C[C@H]1c1csc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20)/t8-,10+/m0/s1
InChIKeyLPDHFBSNSHOHDI-WCBMZHEXSA-N
XLogP2.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate with MolForge

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Related Compounds

4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide
CID 118432835
[2-[5-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-3-yl]cyclopropyl] carbamate
CID 118437477
6-amino-N-(4,4-difluorocyclohexyl)-1,2,4-triazine-5-carboxamide
CID 172615445
3-[(1S,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 142797628
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
CID 136536293
5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
CID 71099574
6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
CID 166390917
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118432737
N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
CID 170257409

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The IUPAC name of [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate (CID 118437504) is [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate.
What is the SMILES notation for [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The canonical SMILES for [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate is NC(=O)O[C@@H]1C[C@H]1c1csc(C(=O)NC2CCC(F)(F)CC2)n1.
What is the InChIKey of [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The InChIKey is LPDHFBSNSHOHDI-WCBMZHEXSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20)/t8-,10+/m0/s1.
What are the key properties of [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
[(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate has a molecular weight of 345.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate is sourced from PubChem (CID 118437504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).