N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine

C12H15N7S2 — CID 115334602

IUPACN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
SMILESc1cn2cc(CSc3nnnn3CCNC3CC3)nc2s1
InChIInChI=1S/C12H15N7S2/c1-2-9(1)13-3-4-19-12(15-16-17-19)21-8-10-7-18-5-6-20-11(18)14-10/h5-7,9,13H,1-4,8H2
InChIKeyUACKCJHQAPELDM-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.43
Rot. Bonds7

About N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine

N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine (PubChem CID 115334602) has the molecular formula C12H15N7S2 and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
PubChem CID115334602
Molecular FormulaC12H15N7S2
Molecular Weight321.44 g/mol
Exact Mass321.08
IUPAC NameN-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
SMILESc1cn2cc(CSc3nnnn3CCNC3CC3)nc2s1
InChIInChI=1S/C12H15N7S2/c1-2-9(1)13-3-4-19-12(15-16-17-19)21-8-10-7-18-5-6-20-11(18)14-10/h5-7,9,13H,1-4,8H2
InChIKeyUACKCJHQAPELDM-UHFFFAOYSA-N
XLogP1.43
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 115334270
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
CID 113289404
[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 115332032
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641228
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine (CID 115334602) is N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine is c1cn2cc(CSc3nnnn3CCNC3CC3)nc2s1.
What is the InChIKey of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is UACKCJHQAPELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S2/c1-2-9(1)13-3-4-19-12(15-16-17-19)21-8-10-7-18-5-6-20-11(18)14-10/h5-7,9,13H,1-4,8H2.
What are the key properties of N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine?
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 321.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 115334602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).