4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride

C17H24ClF2N3OS — CID 118433225

IUPAC4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2NCC2CC2)cs1
InChIInChI=1S/C17H23F2N3OS.ClH/c18-17(19)5-3-11(4-6-17)21-15(23)16-22-14(9-24-16)12-7-13(12)20-8-10-1-2-10;/h9-13,20H,1-8H2,(H,21,23);1H/t12-,13-;/m1./s1
InChIKeyMKZNFVLANJLRBH-OJERSXHUSA-N
MW391.92 g/mol
LogP3.73
Rot. Bonds6

About 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride

4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride (PubChem CID 118433225) has the molecular formula C17H24ClF2N3OS and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride
PubChem CID118433225
Molecular FormulaC17H24ClF2N3OS
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2NCC2CC2)cs1
InChIInChI=1S/C17H23F2N3OS.ClH/c18-17(19)5-3-11(4-6-17)21-15(23)16-22-14(9-24-16)12-7-13(12)20-8-10-1-2-10;/h9-13,20H,1-8H2,(H,21,23);1H/t12-,13-;/m1./s1
InChIKeyMKZNFVLANJLRBH-OJERSXHUSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride 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
[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
cyclopropylmethyl-[(1R,2R)-2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl]carbamic acid
CID 122638412
Tert-butyl(cyclopropylmethyl) (trans-2-(2-((4,4-difluorocyclohexyl)carbamoyl)thiazol-4-yl)cyclopropyl)carbamate
CID 131744024
4-[4-(2,2,2-Trifluoroethylamino)cyclohexyl]-1,3-thiazole-2-carboxamide
CID 176124643
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide;dihydrochloride
CID 120352419
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120352420

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride (CID 118433225) is 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride is Cl.O=C(NC1CCC(F)(F)CC1)c1nc([C@@H]2C[C@H]2NCC2CC2)cs1.
What is the InChIKey of 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride?
The InChIKey is MKZNFVLANJLRBH-OJERSXHUSA-N. The full InChI is InChI=1S/C17H23F2N3OS.ClH/c18-17(19)5-3-11(4-6-17)21-15(23)16-22-14(9-24-16)12-7-13(12)20-8-10-1-2-10;/h9-13,20H,1-8H2,(H,21,23);1H/t12-,13-;/m1./s1.
What are the key properties of 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride?
4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 118433225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).