2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide

C11H19N3OS — CID 103814824

IUPAC2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C11H19N3OS/c1-4-5-11(3,12)10(15)14-7-9-13-6-8(2)16-9/h6H,4-5,7,12H2,1-3H3,(H,14,15)
InChIKeyXNBOADUVACJNRH-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide

2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide (PubChem CID 103814824) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
PubChem CID103814824
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C11H19N3OS/c1-4-5-11(3,12)10(15)14-7-9-13-6-8(2)16-9/h6H,4-5,7,12H2,1-3H3,(H,14,15)
InChIKeyXNBOADUVACJNRH-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97008333
1-(3,3-dimethylbutan-2-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71868255
2-[ethyl-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114128699
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide (CID 103814824) is 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide is CCCC(C)(N)C(=O)NCc1ncc(C)s1.
What is the InChIKey of 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The InChIKey is XNBOADUVACJNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-5-11(3,12)10(15)14-7-9-13-6-8(2)16-9/h6H,4-5,7,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 103814824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).