3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide

C12H17N5OS — CID 91832266

IUPAC3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(CN(C)CCC(=O)Nc2nccs2)[nH]1
InChIInChI=1S/C12H17N5OS/c1-9-7-14-10(15-9)8-17(2)5-3-11(18)16-12-13-4-6-19-12/h4,6-7H,3,5,8H2,1-2H3,(H,14,15)(H,13,16,18)
InChIKeyMMXXBUPPRVPJKK-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.64
Rot. Bonds6

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

3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 91832266) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID91832266
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(CN(C)CCC(=O)Nc2nccs2)[nH]1
InChIInChI=1S/C12H17N5OS/c1-9-7-14-10(15-9)8-17(2)5-3-11(18)16-12-13-4-6-19-12/h4,6-7H,3,5,8H2,1-2H3,(H,14,15)(H,13,16,18)
InChIKeyMMXXBUPPRVPJKK-UHFFFAOYSA-N
XLogP1.64
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (CID 91832266) is 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1cnc(CN(C)CCC(=O)Nc2nccs2)[nH]1.
What is the InChIKey of 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MMXXBUPPRVPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-7-14-10(15-9)8-17(2)5-3-11(18)16-12-13-4-6-19-12/h4,6-7H,3,5,8H2,1-2H3,(H,14,15)(H,13,16,18).
What are the key properties of 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 91832266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).