N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

C14H20N4S — CID 77084707

IUPACN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCCCn1ccnc1CN(Cc1nccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyJITSOKHLFJXHDF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds7

About N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 77084707) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
PubChem CID77084707
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCCCn1ccnc1CN(Cc1nccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyJITSOKHLFJXHDF-UHFFFAOYSA-N
XLogP2.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Imidazol-1-ylpropyl)-3-thiazol-2-yl-thiourea
CID 3003033
2-[4-[(1-Cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 37258852
4-Methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 56778657
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 71869888
N-ethyl-N-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 118746152
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
(1S)-N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97879103
2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 164637168
2-Amino-1-thiazolyl imidazole
CID 123836247
N,N-dimethyl-2-(1,3-thiazol-2-yl)imidazole-1-sulfonamide
CID 135000015
5-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43144097
2-[4-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1,3-thiazole
CID 53556021

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (CID 77084707) is N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is CCCn1ccnc1CN(Cc1nccs1)C1CC1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is JITSOKHLFJXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3.
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 276.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 77084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).