N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

C12H18N6OS — CID 122565023

IUPACN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCc1nc(CCNC(=O)CCn2nnnc2C)cs1
InChIInChI=1S/C12H18N6OS/c1-3-12-14-10(8-20-12)4-6-13-11(19)5-7-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19)
InChIKeyFKZSZYMJIRISCZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.75
Rot. Bonds7

About N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 122565023) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID122565023
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCc1nc(CCNC(=O)CCn2nnnc2C)cs1
InChIInChI=1S/C12H18N6OS/c1-3-12-14-10(8-20-12)4-6-13-11(19)5-7-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19)
InChIKeyFKZSZYMJIRISCZ-UHFFFAOYSA-N
XLogP0.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 118790523
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 118787626
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 122565023) is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is CCc1nc(CCNC(=O)CCn2nnnc2C)cs1.
What is the InChIKey of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is FKZSZYMJIRISCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-12-14-10(8-20-12)4-6-13-11(19)5-7-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19).
What are the key properties of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 122565023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).