5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

C8H14N4S2 — CID 125437741

IUPAC5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN[C@@H]2CCCSC2)s1
InChIInChI=1S/C8H14N4S2/c9-8-12-11-7(14-8)4-10-6-2-1-3-13-5-6/h6,10H,1-5H2,(H2,9,12)/t6-/m1/s1
InChIKeyOPEXTOPQNBLISC-ZCFIWIBFSA-N
MW230.36 g/mol
LogP1.11
Rot. Bonds3

About 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125437741) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID125437741
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN[C@@H]2CCCSC2)s1
InChIInChI=1S/C8H14N4S2/c9-8-12-11-7(14-8)4-10-6-2-1-3-13-5-6/h6,10H,1-5H2,(H2,9,12)/t6-/m1/s1
InChIKeyOPEXTOPQNBLISC-ZCFIWIBFSA-N
XLogP1.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
CID 131140778
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
(3R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]thian-3-amine
CID 125435143
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thian-3-amine
CID 115885218
N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
CID 113250129
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477
4-[(thian-3-ylamino)methyl]benzene-1,2-diol
CID 115869231
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283

Frequently Asked Questions

What is the IUPAC name of 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 125437741) is 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CN[C@@H]2CCCSC2)s1.
What is the InChIKey of 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OPEXTOPQNBLISC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N4S2/c9-8-12-11-7(14-8)4-10-6-2-1-3-13-5-6/h6,10H,1-5H2,(H2,9,12)/t6-/m1/s1.
What are the key properties of 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 230.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125437741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).