N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine

C7H8N4S — CID 60966464

IUPACN-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine
SMILESc1cc(CNc2nccs2)[nH]n1
InChIInChI=1S/C7H8N4S/c1-2-10-11-6(1)5-9-7-8-3-4-12-7/h1-4H,5H2,(H,8,9)(H,10,11)
InChIKeyPDSOFSNVSHJYAS-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.48
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine

N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 60966464) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine
PubChem CID60966464
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine
SMILESc1cc(CNc2nccs2)[nH]n1
InChIInChI=1S/C7H8N4S/c1-2-10-11-6(1)5-9-7-8-3-4-12-7/h1-4H,5H2,(H,8,9)(H,10,11)
InChIKeyPDSOFSNVSHJYAS-UHFFFAOYSA-N
XLogP1.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine (CID 60966464) is N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine is c1cc(CNc2nccs2)[nH]n1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is PDSOFSNVSHJYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-10-11-6(1)5-9-7-8-3-4-12-7/h1-4H,5H2,(H,8,9)(H,10,11).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine?
N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 180.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60966464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).