4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine

C9H10N4S2 — CID 62698614

IUPAC4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1ncccn1
InChIInChI=1S/C9H10N4S2/c1-6-8(15-9(10)13-6)14-5-7-11-3-2-4-12-7/h2-4H,5H2,1H3,(H2,10,13)
InChIKeyRSDMAZMBTPXYPQ-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 62698614) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID62698614
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1ncccn1
InChIInChI=1S/C9H10N4S2/c1-6-8(15-9(10)13-6)14-5-7-11-3-2-4-12-7/h2-4H,5H2,1H3,(H2,10,13)
InChIKeyRSDMAZMBTPXYPQ-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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Related Compounds

5-[(2-Methyl-4-thiazolyl)ethynyl]pyrimidine
CID 11600877
N,N-diethyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
CID 16662331
4-[2-(2-Tert-butylsulfanylpyrimidin-5-yl)ethynyl]-2-methyl-1,3-thiazole
CID 16663134
Guanidine, N-(1,1-dimethylpropyl)-N'-2-pyrimidinyl-N''-2-thiazolyl-
CID 3055130
4-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 45833433
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
Dimethialium
CID 161140
4-[2-[2-(2,5-Dihydropyrrol-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazol-3-ium
CID 57823002
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
4-[(4-Methylsulfonylpiperazin-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51086121
2-[Propan-2-yl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53525087

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine (CID 62698614) is 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCc1ncccn1.
What is the InChIKey of 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is RSDMAZMBTPXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-6-8(15-9(10)13-6)14-5-7-11-3-2-4-12-7/h2-4H,5H2,1H3,(H2,10,13).
What are the key properties of 4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-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-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62698614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).