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

C9H15N3OS — CID 103814822

IUPAC4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)CCCN)s1
InChIInChI=1S/C9H15N3OS/c1-7-5-12-9(14-7)6-11-8(13)3-2-4-10/h5H,2-4,6,10H2,1H3,(H,11,13)
InChIKeyBXPONOAPTGVEHW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide

4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 103814822) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID103814822
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)CCCN)s1
InChIInChI=1S/C9H15N3OS/c1-7-5-12-9(14-7)6-11-8(13)3-2-4-10/h5H,2-4,6,10H2,1H3,(H,11,13)
InChIKeyBXPONOAPTGVEHW-UHFFFAOYSA-N
XLogP0.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
CID 114127580
(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
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
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
3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738980
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 113241736
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 82546789
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 103814824

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (CID 103814822) is 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide is Cc1cnc(CNC(=O)CCCN)s1.
What is the InChIKey of 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is BXPONOAPTGVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-5-12-9(14-7)6-11-8(13)3-2-4-10/h5H,2-4,6,10H2,1H3,(H,11,13).
What are the key properties of 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 213.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 103814822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).