N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide

C13H19F2N3OS — CID 170896860

IUPACN-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC[C@H](NC(=O)c1scnc1C(F)F)C1CCCCC1
InChIInChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19)/t9-/m0/s1
InChIKeyHVRWGXPOHYZSBP-VIFPVBQESA-N
MW303.38 g/mol
LogP2.72
Rot. Bonds5

About N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide

N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 170896860) has the molecular formula C13H19F2N3OS and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID170896860
Molecular FormulaC13H19F2N3OS
Molecular Weight303.38 g/mol
Exact Mass303.12
IUPAC NameN-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC[C@H](NC(=O)c1scnc1C(F)F)C1CCCCC1
InChIInChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19)/t9-/m0/s1
InChIKeyHVRWGXPOHYZSBP-VIFPVBQESA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide (CID 170896860) is N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide is NC[C@H](NC(=O)c1scnc1C(F)F)C1CCCCC1.
What is the InChIKey of N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HVRWGXPOHYZSBP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19)/t9-/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 170896860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).