[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine

C13H18N4S — CID 114362055

IUPAC[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nccc(-c2nc(CC(C)C)c(CN)s2)n1
InChIInChI=1S/C13H18N4S/c1-8(2)6-11-12(7-14)18-13(17-11)10-4-5-15-9(3)16-10/h4-5,8H,6-7,14H2,1-3H3
InChIKeyAMSWZYYFSXCGCA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds4

About [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362055) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362055
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nccc(-c2nc(CC(C)C)c(CN)s2)n1
InChIInChI=1S/C13H18N4S/c1-8(2)6-11-12(7-14)18-13(17-11)10-4-5-15-9(3)16-10/h4-5,8H,6-7,14H2,1-3H3
InChIKeyAMSWZYYFSXCGCA-UHFFFAOYSA-N
XLogP2.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114364758
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 82503234
5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528560
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine (CID 114362055) is [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine is Cc1nccc(-c2nc(CC(C)C)c(CN)s2)n1.
What is the InChIKey of [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is AMSWZYYFSXCGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(2)6-11-12(7-14)18-13(17-11)10-4-5-15-9(3)16-10/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).