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

C12H18N6OS — CID 91764623

IUPAC3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nnnn1CCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C12H18N6OS/c1-8(2)12-14-10(7-20-12)6-13-11(19)4-5-18-9(3)15-16-17-18/h7-8H,4-6H2,1-3H3,(H,13,19)
InChIKeyIGCIWDGEWNHGOT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.27
Rot. Bonds6

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

3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 91764623) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID91764623
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nnnn1CCC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C12H18N6OS/c1-8(2)12-14-10(7-20-12)6-13-11(19)4-5-18-9(3)15-16-17-18/h7-8H,4-6H2,1-3H3,(H,13,19)
InChIKeyIGCIWDGEWNHGOT-UHFFFAOYSA-N
XLogP1.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 91764623) is 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nnnn1CCC(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is IGCIWDGEWNHGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-8(2)12-14-10(7-20-12)6-13-11(19)4-5-18-9(3)15-16-17-18/h7-8H,4-6H2,1-3H3,(H,13,19).
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91764623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).