N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C12H19N3OS — CID 71939012

IUPACN-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C(C)C)C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)15(11-4-5-11)6-10-7-17-12(14-10)13-9(3)16/h7-8,11H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyKMPWDSOFCVYCFO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71939012) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71939012
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C(C)C)C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)15(11-4-5-11)6-10-7-17-12(14-10)13-9(3)16/h7-8,11H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyKMPWDSOFCVYCFO-UHFFFAOYSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 71939012) is N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN(C(C)C)C2CC2)cs1.
What is the InChIKey of N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KMPWDSOFCVYCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)15(11-4-5-11)6-10-7-17-12(14-10)13-9(3)16/h7-8,11H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71939012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).