N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline

C14H12N4S — CID 62749085

IUPACN-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline
SMILESc1cc(CNc2ccc(-c3nccs3)cc2)ncn1
InChIInChI=1S/C14H12N4S/c1-3-12(17-9-13-5-6-15-10-18-13)4-2-11(1)14-16-7-8-19-14/h1-8,10,17H,9H2
InChIKeyGAWXPISZLLQJEN-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.21
Rot. Bonds4

About N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline

N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 62749085) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID62749085
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline
SMILESc1cc(CNc2ccc(-c3nccs3)cc2)ncn1
InChIInChI=1S/C14H12N4S/c1-3-12(17-9-13-5-6-15-10-18-13)4-2-11(1)14-16-7-8-19-14/h1-8,10,17H,9H2
InChIKeyGAWXPISZLLQJEN-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(pyrimidin-4-ylmethyl)aniline
CID 62760584
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115380154
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694542
4-methylsulfanyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62760028
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-(2,2-dimethoxyethyl)-4-(1,3-thiazol-2-yl)aniline
CID 63696540
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline (CID 62749085) is N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline is c1cc(CNc2ccc(-c3nccs3)cc2)ncn1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is GAWXPISZLLQJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-3-12(17-9-13-5-6-15-10-18-13)4-2-11(1)14-16-7-8-19-14/h1-8,10,17H,9H2.
What are the key properties of N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline?
N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 268.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 62749085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).