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

C10H17N3S — CID 63841444

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3S/c1-4-5-10(11)13(3)6-9-8(2)12-7-14-9/h7,11H,4-6H2,1-3H3/b11-10+
InChIKeyFXYMYNPCFKXGDN-ZHACJKMWSA-N
MW211.33 g/mol
LogP2.66
Rot. Bonds4

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

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide (PubChem CID 63841444) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
PubChem CID63841444
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3S/c1-4-5-10(11)13(3)6-9-8(2)12-7-14-9/h7,11H,4-6H2,1-3H3/b11-10+
InChIKeyFXYMYNPCFKXGDN-ZHACJKMWSA-N
XLogP2.66
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-methyl-N-[(4-methylphenyl)methyl]butanimidamide
CID 63175757
5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 107910110
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
2-carbamothioyl-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 114292314
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-sulfanylbutanamide
CID 107030171
2-[ethyl-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63838396
2-(butan-2-ylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63836373

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide (CID 63841444) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide is [H]/N=C(\CCC)N(C)Cc1scnc1C.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
The InChIKey is FXYMYNPCFKXGDN-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-5-10(11)13(3)6-9-8(2)12-7-14-9/h7,11H,4-6H2,1-3H3/b11-10+.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide has a molecular weight of 211.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide is sourced from PubChem (CID 63841444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).