N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 18142364

IUPACN-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(Sc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-10(2,3)13-8-14-15-9(17-8)16-7-11-5-4-6-12-7/h4-6H,1-3H3,(H,13,14)
InChIKeyBUCOTAPOWJSXNJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.69
Rot. Bonds3

About N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 18142364) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID18142364
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(Sc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-10(2,3)13-8-14-15-9(17-8)16-7-11-5-4-6-12-7/h4-6H,1-3H3,(H,13,14)
InChIKeyBUCOTAPOWJSXNJ-UHFFFAOYSA-N
XLogP2.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 17456564
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 131207186
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 39850655
N-tert-butyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 24561502
N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 24525954
N-tert-butyl-5-[(5-chloroquinolin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 38875997
N-tert-butyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142369
1-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 18101219
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)acetamide
CID 18101345
N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 119047027
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
(2S)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 41073533

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 18142364) is N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is CC(C)(C)Nc1nnc(Sc2ncccn2)s1.
What is the InChIKey of N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BUCOTAPOWJSXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-10(2,3)13-8-14-15-9(17-8)16-7-11-5-4-6-12-7/h4-6H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18142364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).