N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C15H23N3S — CID 82855362

IUPACN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1nc(C2(NC3CC3)CCN3CCCC32)sc1C
InChIInChI=1S/C15H23N3S/c1-10-11(2)19-14(16-10)15(17-12-5-6-12)7-9-18-8-3-4-13(15)18/h12-13,17H,3-9H2,1-2H3
InChIKeyHOGKBDPFLJEZAI-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.58
Rot. Bonds3

About N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82855362) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82855362
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1nc(C2(NC3CC3)CCN3CCCC32)sc1C
InChIInChI=1S/C15H23N3S/c1-10-11(2)19-14(16-10)15(17-12-5-6-12)7-9-18-8-3-4-13(15)18/h12-13,17H,3-9H2,1-2H3
InChIKeyHOGKBDPFLJEZAI-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
CID 82717311
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine
CID 79951460
N-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethylpiperidin-4-amine
CID 114510212
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
CID 130554851
N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82856477
N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64751318
1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61338247
N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dimethylcyclohexan-1-amine
CID 64755196
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045313
[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 154784795
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332
4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332257

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82855362) is N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is Cc1nc(C2(NC3CC3)CCN3CCCC32)sc1C.
What is the InChIKey of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is HOGKBDPFLJEZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10-11(2)19-14(16-10)15(17-12-5-6-12)7-9-18-8-3-4-13(15)18/h12-13,17H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 277.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82855362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).