N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C11H19N3OS — CID 79652972

IUPACN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C11H19N3OS/c1-8-9(16-7-13-8)10(15)14(4)6-11(2,3)5-12/h7H,5-6,12H2,1-4H3
InChIKeyUCOMHRYJJJJELS-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.51
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 79652972) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID79652972
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C11H19N3OS/c1-8-9(16-7-13-8)10(15)14(4)6-11(2,3)5-12/h7H,5-6,12H2,1-4H3
InChIKeyUCOMHRYJJJJELS-UHFFFAOYSA-N
XLogP1.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 79652972) is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UCOMHRYJJJJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-9(16-7-13-8)10(15)14(4)6-11(2,3)5-12/h7H,5-6,12H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79652972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).