4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride

C14H18ClN3O2S — CID 155271945

IUPAC4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride
SMILESCOc1cccc(-c2ncc(NC(=O)CCCN)s2)c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-11-5-2-4-10(8-11)14-16-9-13(20-14)17-12(18)6-3-7-15;/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,17,18);1H
InChIKeyUIJVNNMRHIBGMF-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.92
Rot. Bonds6

About 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride

4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride (PubChem CID 155271945) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride
PubChem CID155271945
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride
SMILESCOc1cccc(-c2ncc(NC(=O)CCCN)s2)c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-11-5-2-4-10(8-11)14-16-9-13(20-14)17-12(18)6-3-7-15;/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,17,18);1H
InChIKeyUIJVNNMRHIBGMF-UHFFFAOYSA-N
XLogP2.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 155272117
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride (CID 155271945) is 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride is COc1cccc(-c2ncc(NC(=O)CCCN)s2)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride?
The InChIKey is UIJVNNMRHIBGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c1-19-11-5-2-4-10(8-11)14-16-9-13(20-14)17-12(18)6-3-7-15;/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride?
4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 155271945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).