2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C15H20N4S — CID 115528200

IUPAC2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccnc(C)n3)nc21
InChIInChI=1S/C15H20N4S/c1-3-8-17-11-5-4-6-13-14(11)19-15(20-13)12-7-9-16-10(2)18-12/h7,9,11,17H,3-6,8H2,1-2H3
InChIKeyRSKNKNNNPHIEMQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 115528200) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID115528200
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccnc(C)n3)nc21
InChIInChI=1S/C15H20N4S/c1-3-8-17-11-5-4-6-13-14(11)19-15(20-13)12-7-9-16-10(2)18-12/h7,9,11,17H,3-6,8H2,1-2H3
InChIKeyRSKNKNNNPHIEMQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115528195
2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 114938177
2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107931877
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975922
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
N-ethyl-2-(5-ethylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976596
2-N-methyl-2-N-pentyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976809
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 115528200) is 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(-c3ccnc(C)n3)nc21.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is RSKNKNNNPHIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-8-17-11-5-4-6-13-14(11)19-15(20-13)12-7-9-16-10(2)18-12/h7,9,11,17H,3-6,8H2,1-2H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 115528200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).