2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine

C6H8N4S — CID 146490080

IUPAC2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine
SMILESNC1=CSC(c2cn[nH]c2)N1
InChIInChI=1S/C6H8N4S/c7-5-3-11-6(10-5)4-1-8-9-2-4/h1-3,6,10H,7H2,(H,8,9)
InChIKeyVVHDQBUAYYKWDF-UHFFFAOYSA-N
MW168.23 g/mol
LogP0.50
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine

2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine (PubChem CID 146490080) has the molecular formula C6H8N4S and a molecular weight of 168.23 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine
PubChem CID146490080
Molecular FormulaC6H8N4S
Molecular Weight168.23 g/mol
Exact Mass168.05
IUPAC Name2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine
SMILESNC1=CSC(c2cn[nH]c2)N1
InChIInChI=1S/C6H8N4S/c7-5-3-11-6(10-5)4-1-8-9-2-4/h1-3,6,10H,7H2,(H,8,9)
InChIKeyVVHDQBUAYYKWDF-UHFFFAOYSA-N
XLogP0.50
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The IUPAC name of 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine (CID 146490080) is 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine is NC1=CSC(c2cn[nH]c2)N1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The InChIKey is VVHDQBUAYYKWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c7-5-3-11-6(10-5)4-1-8-9-2-4/h1-3,6,10H,7H2,(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine?
2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine has a molecular weight of 168.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 146490080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).