N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride

C11H17ClN4S — CID 115607898

IUPACN-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride
SMILESCc1csc(CCCNCc2cnc[nH]2)n1.Cl
InChIInChI=1S/C11H16N4S.ClH/c1-9-7-16-11(15-9)3-2-4-12-5-10-6-13-8-14-10;/h6-8,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyHFYNQVFSKOBRTB-UHFFFAOYSA-N
MW272.81 g/mol
LogP2.32
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride

N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride (PubChem CID 115607898) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride
PubChem CID115607898
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride
SMILESCc1csc(CCCNCc2cnc[nH]2)n1.Cl
InChIInChI=1S/C11H16N4S.ClH/c1-9-7-16-11(15-9)3-2-4-12-5-10-6-13-8-14-10;/h6-8,12H,2-5H2,1H3,(H,13,14);1H
InChIKeyHFYNQVFSKOBRTB-UHFFFAOYSA-N
XLogP2.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 104770064
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 130702437
3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115639457
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608
5-N-(1H-imidazol-5-ylmethyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348958
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride (CID 115607898) is N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride is Cc1csc(CCCNCc2cnc[nH]2)n1.Cl.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride?
The InChIKey is HFYNQVFSKOBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S.ClH/c1-9-7-16-11(15-9)3-2-4-12-5-10-6-13-8-14-10;/h6-8,12H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride?
N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride has a molecular weight of 272.81 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115607898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).