N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

C8H10N4S — CID 58477465

IUPACN-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C8H10N4S/c1-9-8-11-7(5-13-8)6-3-10-12(2)4-6/h3-5H,1-2H3,(H,9,11)
InChIKeyKRDNYSVXTFHLHR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.59
Rot. Bonds2

About N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 58477465) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID58477465
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C8H10N4S/c1-9-8-11-7(5-13-8)6-3-10-12(2)4-6/h3-5H,1-2H3,(H,9,11)
InChIKeyKRDNYSVXTFHLHR-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 58477465) is N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cnn(C)c2)cs1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KRDNYSVXTFHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-9-8-11-7(5-13-8)6-3-10-12(2)4-6/h3-5H,1-2H3,(H,9,11).
What are the key properties of N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58477465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).