N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H20N4OS — CID 102952854

IUPACN-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2nc(C3CC3)c(CNC(C)C)s2)ncn1
InChIInChI=1S/C15H20N4OS/c1-9(2)16-7-12-14(10-4-5-10)19-15(21-12)11-6-13(20-3)18-8-17-11/h6,8-10,16H,4-5,7H2,1-3H3
InChIKeyQAWWKNIWKYLUGT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds6

About N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 102952854) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID102952854
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2nc(C3CC3)c(CNC(C)C)s2)ncn1
InChIInChI=1S/C15H20N4OS/c1-9(2)16-7-12-14(10-4-5-10)19-15(21-12)11-6-13(20-3)18-8-17-11/h6,8-10,16H,4-5,7H2,1-3H3
InChIKeyQAWWKNIWKYLUGT-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 102952854) is N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COc1cc(-c2nc(C3CC3)c(CNC(C)C)s2)ncn1.
What is the InChIKey of N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is QAWWKNIWKYLUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)16-7-12-14(10-4-5-10)19-15(21-12)11-6-13(20-3)18-8-17-11/h6,8-10,16H,4-5,7H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 102952854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).