4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C16H15N5OS — CID 71709739

IUPAC4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C16H15N5OS/c22-15(18-9-6-14-17-10-11-23-14)12-2-4-13(5-3-12)21-16-19-7-1-8-20-16/h1-5,7-8,10-11H,6,9H2,(H,18,22)(H,19,20,21)
InChIKeyDTPOEBHAQJMTJO-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.65
Rot. Bonds6

About 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 71709739) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID71709739
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C16H15N5OS/c22-15(18-9-6-14-17-10-11-23-14)12-2-4-13(5-3-12)21-16-19-7-1-8-20-16/h1-5,7-8,10-11H,6,9H2,(H,18,22)(H,19,20,21)
InChIKeyDTPOEBHAQJMTJO-UHFFFAOYSA-N
XLogP2.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 71709739) is 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is DTPOEBHAQJMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(18-9-6-14-17-10-11-23-14)12-2-4-13(5-3-12)21-16-19-7-1-8-20-16/h1-5,7-8,10-11H,6,9H2,(H,18,22)(H,19,20,21).
What are the key properties of 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 325.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).