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

C11H14N4S — CID 63986645

IUPACN-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccncn2)s1
InChIInChI=1S/C11H14N4S/c1-8(2)13-5-9-6-14-11(16-9)10-3-4-12-7-15-10/h3-4,6-8,13H,5H2,1-2H3
InChIKeyOMXSMVCPLODPJK-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.10
Rot. Bonds4

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

N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 63986645) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID63986645
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccncn2)s1
InChIInChI=1S/C11H14N4S/c1-8(2)13-5-9-6-14-11(16-9)10-3-4-12-7-15-10/h3-4,6-8,13H,5H2,1-2H3
InChIKeyOMXSMVCPLODPJK-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 63986645) is N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(-c2ccncn2)s1.
What is the InChIKey of N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is OMXSMVCPLODPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8(2)13-5-9-6-14-11(16-9)10-3-4-12-7-15-10/h3-4,6-8,13H,5H2,1-2H3.
What are the key properties of N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63986645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).