N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C12H16N4S — CID 66116491

IUPACN-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cncn2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-17-12(14-8)11(15-9-3-4-9)10-5-13-7-16(10)2/h5-7,9,11,15H,3-4H2,1-2H3
InChIKeyACZWVYYRUIKGMF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.03
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 66116491) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID66116491
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cncn2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-17-12(14-8)11(15-9-3-4-9)10-5-13-7-16(10)2/h5-7,9,11,15H,3-4H2,1-2H3
InChIKeyACZWVYYRUIKGMF-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 66116918
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
CID 66132025
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 61334863
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 66116491) is N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1csc(C(NC2CC2)c2cncn2C)n1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is ACZWVYYRUIKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-17-12(14-8)11(15-9-3-4-9)10-5-13-7-16(10)2/h5-7,9,11,15H,3-4H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 248.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).