(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine

C9H18N4S — CID 104867732

IUPAC(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine
SMILESCC(C)c1nnsc1CN[C@@H](C)CN
InChIInChI=1S/C9H18N4S/c1-6(2)9-8(14-13-12-9)5-11-7(3)4-10/h6-7,11H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyDQIQRBCKZCGRNH-ZETCQYMHSA-N
MW214.34 g/mol
LogP1.10
Rot. Bonds5

About (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine

(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 104867732) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine
PubChem CID104867732
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine
SMILESCC(C)c1nnsc1CN[C@@H](C)CN
InChIInChI=1S/C9H18N4S/c1-6(2)9-8(14-13-12-9)5-11-7(3)4-10/h6-7,11H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyDQIQRBCKZCGRNH-ZETCQYMHSA-N
XLogP1.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine (CID 104867732) is (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine is CC(C)c1nnsc1CN[C@@H](C)CN.
What is the InChIKey of (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is DQIQRBCKZCGRNH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N4S/c1-6(2)9-8(14-13-12-9)5-11-7(3)4-10/h6-7,11H,4-5,10H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine?
(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).