N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C17H24N4O2S — CID 122151630

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C17H24N4O2S/c1-10-14(12(3)23-19-10)16-18-11(2)15(24-16)17(22)21(5)9-8-20(4)13-6-7-13/h13H,6-9H2,1-5H3
InChIKeyWZLUWBWOIDNNMN-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.89
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 122151630) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID122151630
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C17H24N4O2S/c1-10-14(12(3)23-19-10)16-18-11(2)15(24-16)17(22)21(5)9-8-20(4)13-6-7-13/h13H,6-9H2,1-5H3
InChIKeyWZLUWBWOIDNNMN-UHFFFAOYSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 122151630) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(C)noc2C)sc1C(=O)N(C)CCN(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WZLUWBWOIDNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10-14(12(3)23-19-10)16-18-11(2)15(24-16)17(22)21(5)9-8-20(4)13-6-7-13/h13H,6-9H2,1-5H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122151630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).