cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid

C18H23F2N3O3S — CID 122638412

IUPACcyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
SMILESO=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2N(CC2CC2)C(=O)O)cs1
InChIInChI=1S/C18H23F2N3O3S/c19-18(20)5-3-11(4-6-18)21-15(24)16-22-13(9-27-16)12-7-14(12)23(17(25)26)8-10-1-2-10/h9-12,14H,1-8H2,(H,21,24)(H,25,26)/t12-,14+/m0/s1
InChIKeyOYJLYDBJJGGTJL-GXTWGEPZSA-N
MW399.46 g/mol
LogP3.70
Rot. Bonds6

About cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid

cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid (PubChem CID 122638412) has the molecular formula C18H23F2N3O3S and a molecular weight of 399.46 g/mol. Its IUPAC name is cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
PubChem CID122638412
Molecular FormulaC18H23F2N3O3S
Molecular Weight399.46 g/mol
Exact Mass399.14
IUPAC Namecyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
SMILESO=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2N(CC2CC2)C(=O)O)cs1
InChIInChI=1S/C18H23F2N3O3S/c19-18(20)5-3-11(4-6-18)21-15(24)16-22-13(9-27-16)12-7-14(12)23(17(25)26)8-10-1-2-10/h9-12,14H,1-8H2,(H,21,24)(H,25,26)/t12-,14+/m0/s1
InChIKeyOYJLYDBJJGGTJL-GXTWGEPZSA-N
XLogP3.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid with MolForge

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Related Compounds

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide
CID 118433224
4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide
CID 118432835
tert-butyl N-(cyclopropylmethyl)-N-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamate
CID 118432848
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride
CID 118433223
4-(trans-2-((cyclopropylmethyl)amino)cyclopropyl)-N-(4,4-difluorocyclohexyl) thiazole-2-carboxamide hydrochloride
CID 118433225
[2-[2-[(4,4-Difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
CID 122636557
[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
CID 122636558
Cyclopropylmethyl-[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
CID 122638411
Tert-butyl(cyclopropylmethyl) (trans-2-(2-((4,4-difluorocyclohexyl)carbamoyl)thiazol-4-yl)cyclopropyl)carbamate
CID 131744024
(2S)-2-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propyl]amino]-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid
CID 169428282
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119886626

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid?
The IUPAC name of cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid (CID 122638412) is cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid.
What is the SMILES notation for cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid?
The canonical SMILES for cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid is O=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2N(CC2CC2)C(=O)O)cs1.
What is the InChIKey of cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid?
The InChIKey is OYJLYDBJJGGTJL-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H23F2N3O3S/c19-18(20)5-3-11(4-6-18)21-15(24)16-22-13(9-27-16)12-7-14(12)23(17(25)26)8-10-1-2-10/h9-12,14H,1-8H2,(H,21,24)(H,25,26)/t12-,14+/m0/s1.
What are the key properties of cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid?
cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid has a molecular weight of 399.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid is sourced from PubChem (CID 122638412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).