1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea

C15H21N5O2S — CID 87306595

IUPAC1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)NCCO)sc1-c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-9-11(10-5-6-16-12(19-10)15(2,3)4)23-14(18-9)20-13(22)17-7-8-21/h5-6,21H,7-8H2,1-4H3,(H2,17,18,20,22)
InChIKeyYBRAIXMLCJHFIB-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.32
Rot. Bonds4

About 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea

1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea (PubChem CID 87306595) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
PubChem CID87306595
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)NCCO)sc1-c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-9-11(10-5-6-16-12(19-10)15(2,3)4)23-14(18-9)20-13(22)17-7-8-21/h5-6,21H,7-8H2,1-4H3,(H2,17,18,20,22)
InChIKeyYBRAIXMLCJHFIB-UHFFFAOYSA-N
XLogP2.32
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea (CID 87306595) is 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea is Cc1nc(NC(=O)NCCO)sc1-c1ccnc(C(C)(C)C)n1.
What is the InChIKey of 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is YBRAIXMLCJHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9-11(10-5-6-16-12(19-10)15(2,3)4)23-14(18-9)20-13(22)17-7-8-21/h5-6,21H,7-8H2,1-4H3,(H2,17,18,20,22).
What are the key properties of 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 335.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 87306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).