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

C16H23N5OS — CID 71703921

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(C)(C)c1csc(CCNC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C16H23N5OS/c1-16(2,3)12-11-23-14(21-12)6-10-17-13(22)5-9-20-15-18-7-4-8-19-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyZFBWGOMKBDNUMT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.39
Rot. Bonds7

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

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71703921) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71703921
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(C)(C)c1csc(CCNC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C16H23N5OS/c1-16(2,3)12-11-23-14(21-12)6-10-17-13(22)5-9-20-15-18-7-4-8-19-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyZFBWGOMKBDNUMT-UHFFFAOYSA-N
XLogP2.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide (CID 71703921) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide is CC(C)(C)c1csc(CCNC(=O)CCNc2ncccn2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is ZFBWGOMKBDNUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-16(2,3)12-11-23-14(21-12)6-10-17-13(22)5-9-20-15-18-7-4-8-19-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71703921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).