N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

C18H29N7O2S — CID 26315001

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCOCC2)c(C)s1
InChIInChI=1S/C18H29N7O2S/c1-13(18-14(2)28-15(3)19-18)23(4)17(26)6-5-7-25-16(20-21-22-25)12-24-8-10-27-11-9-24/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyKNZTXOIINROSNA-CYBMUJFWSA-N
MW407.54 g/mol
LogP1.58
Rot. Bonds8

About N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (PubChem CID 26315001) has the molecular formula C18H29N7O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
PubChem CID26315001
Molecular FormulaC18H29N7O2S
Molecular Weight407.54 g/mol
Exact Mass407.21
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCOCC2)c(C)s1
InChIInChI=1S/C18H29N7O2S/c1-13(18-14(2)28-15(3)19-18)23(4)17(26)6-5-7-25-16(20-21-22-25)12-24-8-10-27-11-9-24/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyKNZTXOIINROSNA-CYBMUJFWSA-N
XLogP1.58
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (CID 26315001) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is Cc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCOCC2)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The InChIKey is KNZTXOIINROSNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H29N7O2S/c1-13(18-14(2)28-15(3)19-18)23(4)17(26)6-5-7-25-16(20-21-22-25)12-24-8-10-27-11-9-24/h13H,5-12H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide has a molecular weight of 407.54 g/mol, XLogP of 1.58, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is sourced from PubChem (CID 26315001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).