N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide

C12H21N3O2S — CID 65204482

IUPACN-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-8(2)10-11(18-14-13-10)12(17)15(9(3)4)6-5-7-16/h8-9,16H,5-7H2,1-4H3
InChIKeyMAYVQIYWZKQTHV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.89
Rot. Bonds6

About N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide

N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide (PubChem CID 65204482) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
PubChem CID65204482
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-8(2)10-11(18-14-13-10)12(17)15(9(3)4)6-5-7-16/h8-9,16H,5-7H2,1-4H3
InChIKeyMAYVQIYWZKQTHV-UHFFFAOYSA-N
XLogP1.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53618603
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
1-[(4-Ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,4,4-trimethylpyrrolidin-3-ol
CID 70738121
{(3R*,4R*)-1-[(4-isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72861088
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 86807030
N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 104858059
N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106168184
4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide
CID 106512272
N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 107483126
4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 107483246

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide (CID 65204482) is N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is MAYVQIYWZKQTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)10-11(18-14-13-10)12(17)15(9(3)4)6-5-7-16/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide?
N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65204482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).