N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C19H26N2O3S — CID 97256126

IUPACN-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1
InChIInChI=1S/C19H26N2O3S/c1-11(2)19-21-13(4)17(25-19)18(22)20-12(3)16(24-6)14-7-9-15(23-5)10-8-14/h7-12,16H,1-6H3,(H,20,22)/t12-,16-/m1/s1
InChIKeyHAKHHJAXWAVHGW-MLGOLLRUSA-N
MW362.50 g/mol
LogP4.09
Rot. Bonds7

About N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 97256126) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID97256126
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1
InChIInChI=1S/C19H26N2O3S/c1-11(2)19-21-13(4)17(25-19)18(22)20-12(3)16(24-6)14-7-9-15(23-5)10-8-14/h7-12,16H,1-6H3,(H,20,22)/t12-,16-/m1/s1
InChIKeyHAKHHJAXWAVHGW-MLGOLLRUSA-N
XLogP4.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691117
2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 97256121
5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
CID 120552499
N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 156586208
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365629
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008787
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 123870514

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 97256126) is N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1.
What is the InChIKey of N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HAKHHJAXWAVHGW-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-11(2)19-21-13(4)17(25-19)18(22)20-12(3)16(24-6)14-7-9-15(23-5)10-8-14/h7-12,16H,1-6H3,(H,20,22)/t12-,16-/m1/s1.
What are the key properties of N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97256126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).