[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate

C12H12N4O2S — CID 175421671

IUPAC[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate
SMILESCc1nc(OC(N)=O)sc1-c1ccnc(C2CC2)n1
InChIInChI=1S/C12H12N4O2S/c1-6-9(19-12(15-6)18-11(13)17)8-4-5-14-10(16-8)7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,13,17)
InChIKeyCDPAWOJCCPRBBO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.24
Rot. Bonds3

About [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate

[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate (PubChem CID 175421671) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate.

Molecular Properties

Compound Name[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate
PubChem CID175421671
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate
SMILESCc1nc(OC(N)=O)sc1-c1ccnc(C2CC2)n1
InChIInChI=1S/C12H12N4O2S/c1-6-9(19-12(15-6)18-11(13)17)8-4-5-14-10(16-8)7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,13,17)
InChIKeyCDPAWOJCCPRBBO-UHFFFAOYSA-N
XLogP2.24
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate?
The IUPAC name of [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate (CID 175421671) is [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate.
What is the SMILES notation for [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate?
The canonical SMILES for [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate is Cc1nc(OC(N)=O)sc1-c1ccnc(C2CC2)n1.
What is the InChIKey of [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate?
The InChIKey is CDPAWOJCCPRBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-6-9(19-12(15-6)18-11(13)17)8-4-5-14-10(16-8)7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,13,17).
What are the key properties of [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate?
[5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate has a molecular weight of 276.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopropylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl] carbamate is sourced from PubChem (CID 175421671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).