N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C7H11N5S — CID 62117756

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCn1cnnc1CNC1=NCCS1
InChIInChI=1S/C7H11N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKAXCAKFZGIJYJN-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.01
Rot. Bonds2

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62117756) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62117756
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCn1cnnc1CNC1=NCCS1
InChIInChI=1S/C7H11N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKAXCAKFZGIJYJN-UHFFFAOYSA-N
XLogP0.01
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117935
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2055093
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 62117010
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79525794
3-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 104937867

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62117756) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cn1cnnc1CNC1=NCCS1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KAXCAKFZGIJYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 197.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62117756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).