(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine

C8H8N4S — CID 61281141

IUPAC(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H8N4S/c9-4-6-5-12-8(13-6)7-10-2-1-3-11-7/h1-3,5H,4,9H2
InChIKeyRXWKLMDJDYVCSD-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.06
Rot. Bonds2

About (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine

(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 61281141) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
PubChem CID61281141
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H8N4S/c9-4-6-5-12-8(13-6)7-10-2-1-3-11-7/h1-3,5H,4,9H2
InChIKeyRXWKLMDJDYVCSD-UHFFFAOYSA-N
XLogP1.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine (CID 61281141) is (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine is NCc1cnc(-c2ncccn2)s1.
What is the InChIKey of (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is RXWKLMDJDYVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-4-6-5-12-8(13-6)7-10-2-1-3-11-7/h1-3,5H,4,9H2.
What are the key properties of (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine?
(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 61281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).