N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

C11H19N3OS — CID 65198957

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)14-10(15)9-6-16-8(3)13-9/h6H,4-5,7,12H2,1-3H3,(H,14,15)
InChIKeyBNTIMBBGXPIVLZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.70
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198957) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198957
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)14-10(15)9-6-16-8(3)13-9/h6H,4-5,7,12H2,1-3H3,(H,14,15)
InChIKeyBNTIMBBGXPIVLZ-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 65198957) is N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is CCC(CC)(CN)NC(=O)c1csc(C)n1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BNTIMBBGXPIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)14-10(15)9-6-16-8(3)13-9/h6H,4-5,7,12H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).