7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride

C15H22ClN3OS2 — CID 119689440

IUPAC7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CCCCCCN)n2)s1.Cl
InChIInChI=1S/C15H21N3OS2.ClH/c1-11-7-8-13(21-11)12-10-20-15(17-12)18-14(19)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18,19);1H
InChIKeyLLUWUUUQNMQICZ-UHFFFAOYSA-N
MW359.95 g/mol
LogP4.45
Rot. Bonds8

About 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride

7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride (PubChem CID 119689440) has the molecular formula C15H22ClN3OS2 and a molecular weight of 359.95 g/mol. Its IUPAC name is 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
PubChem CID119689440
Molecular FormulaC15H22ClN3OS2
Molecular Weight359.95 g/mol
Exact Mass359.09
IUPAC Name7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CCCCCCN)n2)s1.Cl
InChIInChI=1S/C15H21N3OS2.ClH/c1-11-7-8-13(21-11)12-10-20-15(17-12)18-14(19)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18,19);1H
InChIKeyLLUWUUUQNMQICZ-UHFFFAOYSA-N
XLogP4.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.95
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 24597210
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride (CID 119689440) is 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)CCCCCCN)n2)s1.Cl.
What is the InChIKey of 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The InChIKey is LLUWUUUQNMQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2.ClH/c1-11-7-8-13(21-11)12-10-20-15(17-12)18-14(19)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18,19);1H.
What are the key properties of 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride?
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride has a molecular weight of 359.95 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).