5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C11H17BrN2OS — CID 107910110

IUPAC5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncsc1CN(C)C(=O)CCCCBr
InChIInChI=1S/C11H17BrN2OS/c1-9-10(16-8-13-9)7-14(2)11(15)5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyBMHKVUGUCQQEFX-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.98
Rot. Bonds6

About 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide

5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 107910110) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID107910110
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncsc1CN(C)C(=O)CCCCBr
InChIInChI=1S/C11H17BrN2OS/c1-9-10(16-8-13-9)7-14(2)11(15)5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyBMHKVUGUCQQEFX-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
2-(2-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78952141
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
CID 63837429
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
2-(butan-2-ylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63836373
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
CID 63841444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 107910110) is 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncsc1CN(C)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is BMHKVUGUCQQEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-9-10(16-8-13-9)7-14(2)11(15)5-3-4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 305.24 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 107910110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).