2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C11H15N3O2S — CID 844712

IUPAC2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O2S/c1-6-8(10(16)14(2)3)17-11(12-6)13-9(15)7-4-5-7/h7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyCRZPENDHTNGYRP-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.50
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 844712) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID844712
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O2S/c1-6-8(10(16)14(2)3)17-11(12-6)13-9(15)7-4-5-7/h7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyCRZPENDHTNGYRP-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 844712) is 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CC2)sc1C(=O)N(C)C.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is CRZPENDHTNGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-8(10(16)14(2)3)17-11(12-6)13-9(15)7-4-5-7/h7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 844712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).