N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C15H23N7OS — CID 45212940

IUPACN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1csc(C(C)N(C)C(=O)Cn2nnnc2CN2CCCC2)n1
InChIInChI=1S/C15H23N7OS/c1-11-10-24-15(16-11)12(2)20(3)14(23)9-22-13(17-18-19-22)8-21-6-4-5-7-21/h10,12H,4-9H2,1-3H3
InChIKeyPKQUFWPBLALGFC-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.25
Rot. Bonds6

About N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 45212940) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID45212940
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1csc(C(C)N(C)C(=O)Cn2nnnc2CN2CCCC2)n1
InChIInChI=1S/C15H23N7OS/c1-11-10-24-15(16-11)12(2)20(3)14(23)9-22-13(17-18-19-22)8-21-6-4-5-7-21/h10,12H,4-9H2,1-3H3
InChIKeyPKQUFWPBLALGFC-UHFFFAOYSA-N
XLogP1.25
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
CID 26326057
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2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26400539
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
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N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
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CID 20655939
ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
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2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[1-(cyclohexen-1-yl)ethyl]acetamide
CID 72855711
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 45172808
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 45212940) is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is Cc1csc(C(C)N(C)C(=O)Cn2nnnc2CN2CCCC2)n1.
What is the InChIKey of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is PKQUFWPBLALGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-11-10-24-15(16-11)12(2)20(3)14(23)9-22-13(17-18-19-22)8-21-6-4-5-7-21/h10,12H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 45212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).