2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide

C11H17N3OS — CID 61043268

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCc1nc(C)cs1
InChIInChI=1S/C11H17N3OS/c1-4-5-12-11(15)9(3)13-6-10-14-8(2)7-16-10/h4,7,9,13H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyYUZCVDULRFZHER-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.23
Rot. Bonds6

About 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide

2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide (PubChem CID 61043268) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
PubChem CID61043268
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCc1nc(C)cs1
InChIInChI=1S/C11H17N3OS/c1-4-5-12-11(15)9(3)13-6-10-14-8(2)7-16-10/h4,7,9,13H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyYUZCVDULRFZHER-UHFFFAOYSA-N
XLogP1.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 54914183
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide (CID 61043268) is 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCc1nc(C)cs1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide?
The InChIKey is YUZCVDULRFZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-5-12-11(15)9(3)13-6-10-14-8(2)7-16-10/h4,7,9,13H,1,5-6H2,2-3H3,(H,12,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide?
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 61043268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).