4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

C10H14N4S2 — CID 65484461

IUPAC4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1cscn1
InChIInChI=1S/C10H14N4S2/c1-14(4-9-5-15-7-12-9)3-2-8-6-16-10(11)13-8/h5-7H,2-4H2,1H3,(H2,11,13)
InChIKeyHWZTZFDWAPAXFC-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.86
Rot. Bonds5

About 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65484461) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65484461
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1cscn1
InChIInChI=1S/C10H14N4S2/c1-14(4-9-5-15-7-12-9)3-2-8-6-16-10(11)13-8/h5-7H,2-4H2,1H3,(H2,11,13)
InChIKeyHWZTZFDWAPAXFC-UHFFFAOYSA-N
XLogP1.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483093
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55012448
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
CID 105344114
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 91833133
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65484461) is 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is CN(CCc1csc(N)n1)Cc1cscn1.
What is the InChIKey of 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is HWZTZFDWAPAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-14(4-9-5-15-7-12-9)3-2-8-6-16-10(11)13-8/h5-7H,2-4H2,1H3,(H2,11,13).
What are the key properties of 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).