(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine

C8H10N4S — CID 131091311

IUPAC(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]c2)sn1
InChIInChI=1S/C8H10N4S/c1-5-2-7(13-12-5)8(9)6-3-10-11-4-6/h2-4,8H,9H2,1H3,(H,10,11)
InChIKeyDSDXMUGIRCZFII-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.22
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine

(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 131091311) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
PubChem CID131091311
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]c2)sn1
InChIInChI=1S/C8H10N4S/c1-5-2-7(13-12-5)8(9)6-3-10-11-4-6/h2-4,8H,9H2,1H3,(H,10,11)
InChIKeyDSDXMUGIRCZFII-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine (CID 131091311) is (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine is Cc1cc(C(N)c2cn[nH]c2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is DSDXMUGIRCZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-2-7(13-12-5)8(9)6-3-10-11-4-6/h2-4,8H,9H2,1H3,(H,10,11).
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 131091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).