4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C9H10N4S2 — CID 62268712

IUPAC4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccnc(SCc2csc(N)n2)n1
InChIInChI=1S/C9H10N4S2/c1-6-2-3-11-9(12-6)15-5-7-4-14-8(10)13-7/h2-4H,5H2,1H3,(H2,10,13)
InChIKeyWVZUKHCXWCRCHV-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.12
Rot. Bonds3

About 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 62268712) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID62268712
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccnc(SCc2csc(N)n2)n1
InChIInChI=1S/C9H10N4S2/c1-6-2-3-11-9(12-6)15-5-7-4-14-8(10)13-7/h2-4H,5H2,1H3,(H2,10,13)
InChIKeyWVZUKHCXWCRCHV-UHFFFAOYSA-N
XLogP2.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 62268712) is 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1ccnc(SCc2csc(N)n2)n1.
What is the InChIKey of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WVZUKHCXWCRCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-6-2-3-11-9(12-6)15-5-7-4-14-8(10)13-7/h2-4H,5H2,1H3,(H2,10,13).
What are the key properties of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 238.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62268712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).