N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide

C20H28N4O2S — CID 164628438

IUPACN-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide
SMILESNC[C@@H](NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ncc(CO)s1
InChIInChI=1S/C20H28N4O2S/c21-10-18(20-23-12-17(13-25)27-20)24-19(26)15-6-8-16(9-7-15)22-11-14-4-2-1-3-5-14/h6-9,12,14,18,22,25H,1-5,10-11,13,21H2,(H,24,26)/t18-/m1/s1
InChIKeyGEASQYSIIGFGHY-GOSISDBHSA-N
MW388.54 g/mol
LogP3.06
Rot. Bonds8

About N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide

N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide (PubChem CID 164628438) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide
PubChem CID164628438
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide
SMILESNC[C@@H](NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ncc(CO)s1
InChIInChI=1S/C20H28N4O2S/c21-10-18(20-23-12-17(13-25)27-20)24-19(26)15-6-8-16(9-7-15)22-11-14-4-2-1-3-5-14/h6-9,12,14,18,22,25H,1-5,10-11,13,21H2,(H,24,26)/t18-/m1/s1
InChIKeyGEASQYSIIGFGHY-GOSISDBHSA-N
XLogP3.06
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide?
The IUPAC name of N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide (CID 164628438) is N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide.
What is the SMILES notation for N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide?
The canonical SMILES for N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide is NC[C@@H](NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ncc(CO)s1.
What is the InChIKey of N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide?
The InChIKey is GEASQYSIIGFGHY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2S/c21-10-18(20-23-12-17(13-25)27-20)24-19(26)15-6-8-16(9-7-15)22-11-14-4-2-1-3-5-14/h6-9,12,14,18,22,25H,1-5,10-11,13,21H2,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide?
N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide has a molecular weight of 388.54 g/mol, XLogP of 3.06, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-4-(cyclohexylmethylamino)benzamide is sourced from PubChem (CID 164628438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).