N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide

C18H22N6OS — CID 154795248

IUPACN-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide
SMILESCc1nc(Cn2nnc(C(NC(=O)c3ccccc3)C(C)C)n2)sc1C
InChIInChI=1S/C18H22N6OS/c1-11(2)16(20-18(25)14-8-6-5-7-9-14)17-21-23-24(22-17)10-15-19-12(3)13(4)26-15/h5-9,11,16H,10H2,1-4H3,(H,20,25)
InChIKeyUUTAPBZETMYWPS-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.92
Rot. Bonds6

About N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide

N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide (PubChem CID 154795248) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide
PubChem CID154795248
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide
SMILESCc1nc(Cn2nnc(C(NC(=O)c3ccccc3)C(C)C)n2)sc1C
InChIInChI=1S/C18H22N6OS/c1-11(2)16(20-18(25)14-8-6-5-7-9-14)17-21-23-24(22-17)10-15-19-12(3)13(4)26-15/h5-9,11,16H,10H2,1-4H3,(H,20,25)
InChIKeyUUTAPBZETMYWPS-UHFFFAOYSA-N
XLogP2.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2-methyl-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]tetrazol-5-yl]propyl]benzamide
CID 164632125
N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
CID 95629362
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(1R)-1-[5-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 41008481
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
CID 51371078
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-[(1S)-1-[5-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 95731023
N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide
CID 97245522
N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide
CID 111427278
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide?
The IUPAC name of N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide (CID 154795248) is N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide?
The canonical SMILES for N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide is Cc1nc(Cn2nnc(C(NC(=O)c3ccccc3)C(C)C)n2)sc1C.
What is the InChIKey of N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide?
The InChIKey is UUTAPBZETMYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-11(2)16(20-18(25)14-8-6-5-7-9-14)17-21-23-24(22-17)10-15-19-12(3)13(4)26-15/h5-9,11,16H,10H2,1-4H3,(H,20,25).
What are the key properties of N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide?
N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide has a molecular weight of 370.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 154795248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).