N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine

C16H22N4S — CID 66130434

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine
SMILESCCCn1cncc1C(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H22N4S/c1-2-8-20-10-17-9-13(20)15(18-11-6-7-11)16-19-12-4-3-5-14(12)21-16/h9-11,15,18H,2-8H2,1H3
InChIKeyBNAUXNINBBEQNR-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.08
Rot. Bonds6

About N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine (PubChem CID 66130434) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine
PubChem CID66130434
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine
SMILESCCCn1cncc1C(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H22N4S/c1-2-8-20-10-17-9-13(20)15(18-11-6-7-11)16-19-12-4-3-5-14(12)21-16/h9-11,15,18H,2-8H2,1H3
InChIKeyBNAUXNINBBEQNR-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine (CID 66130434) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine is CCCn1cncc1C(NC1CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine?
The InChIKey is BNAUXNINBBEQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-8-20-10-17-9-13(20)15(18-11-6-7-11)16-19-12-4-3-5-14(12)21-16/h9-11,15,18H,2-8H2,1H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine has a molecular weight of 302.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propylimidazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66130434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).