N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C10H13N3S2 — CID 64540577

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C)c(CNCc2cscn2)s1
InChIInChI=1S/C10H13N3S2/c1-7-10(15-8(2)13-7)4-11-3-9-5-14-6-12-9/h5-6,11H,3-4H2,1-2H3
InChIKeyGZRIDUSZUGFGQI-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.51
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 64540577) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID64540577
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C)c(CNCc2cscn2)s1
InChIInChI=1S/C10H13N3S2/c1-7-10(15-8(2)13-7)4-11-3-9-5-14-6-12-9/h5-6,11H,3-4H2,1-2H3
InChIKeyGZRIDUSZUGFGQI-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64539510
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 64540577) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is Cc1nc(C)c(CNCc2cscn2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is GZRIDUSZUGFGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-7-10(15-8(2)13-7)4-11-3-9-5-14-6-12-9/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 239.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 64540577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).