N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C17H13N5S2 — CID 44522324

IUPACN-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1
InChIInChI=1S/C17H13N5S2/c1-4-18-5-2-12(1)9-20-17-21-10-14(13-3-7-23-11-13)15(22-17)16-19-6-8-24-16/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyLNZUINBTHWQYEO-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.34
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522324) has the molecular formula C17H13N5S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522324
Molecular FormulaC17H13N5S2
Molecular Weight351.46 g/mol
Exact Mass351.06
IUPAC NameN-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1
InChIInChI=1S/C17H13N5S2/c1-4-18-5-2-12(1)9-20-17-21-10-14(13-3-7-23-11-13)15(22-17)16-19-6-8-24-16/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyLNZUINBTHWQYEO-UHFFFAOYSA-N
XLogP4.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 44449565
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522324) is N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is c1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is LNZUINBTHWQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S2/c1-4-18-5-2-12(1)9-20-17-21-10-14(13-3-7-23-11-13)15(22-17)16-19-6-8-24-16/h1-8,10-11H,9H2,(H,20,21,22).
What are the key properties of N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 351.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).