N-benzyl-1,2-thiazol-4-amine

C10H10N2S — CID 95913796

IUPACN-benzyl-1,2-thiazol-4-amine
SMILESc1ccc(CNc2cnsc2)cc1
InChIInChI=1S/C10H10N2S/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h1-5,7-8,11H,6H2
InChIKeyQHCXVHHSOSZNON-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.76
Rot. Bonds3

About N-benzyl-1,2-thiazol-4-amine

N-benzyl-1,2-thiazol-4-amine (PubChem CID 95913796) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-benzyl-1,2-thiazol-4-amine.

Molecular Properties

Compound NameN-benzyl-1,2-thiazol-4-amine
PubChem CID95913796
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC NameN-benzyl-1,2-thiazol-4-amine
SMILESc1ccc(CNc2cnsc2)cc1
InChIInChI=1S/C10H10N2S/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h1-5,7-8,11H,6H2
InChIKeyQHCXVHHSOSZNON-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 163931246
CID 163931246
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-benzyl-6-hydrazinylpyridin-3-amine
CID 82054997
N-benzyl-5-chloropyridin-3-amine
CID 146273772
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
N-benzyl-1,3-oxazol-2-amine
CID 13301210
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-benzyl-3,5-dibromoaniline
CID 10640949
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
4-(benzylamino)phenol;hydrochloride
CID 16738613
N-benzyl-4-chloroaniline chloride
CID 45109713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-thiazol-4-amine?
The IUPAC name of N-benzyl-1,2-thiazol-4-amine (CID 95913796) is N-benzyl-1,2-thiazol-4-amine.
What is the SMILES notation for N-benzyl-1,2-thiazol-4-amine?
The canonical SMILES for N-benzyl-1,2-thiazol-4-amine is c1ccc(CNc2cnsc2)cc1.
What is the InChIKey of N-benzyl-1,2-thiazol-4-amine?
The InChIKey is QHCXVHHSOSZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h1-5,7-8,11H,6H2.
What are the key properties of N-benzyl-1,2-thiazol-4-amine?
N-benzyl-1,2-thiazol-4-amine has a molecular weight of 190.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-thiazol-4-amine is sourced from PubChem (CID 95913796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).