(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride

C7H14Cl2N2S — CID 155973688

IUPAC(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride
SMILESCC(C)c1ncc(CN)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-5(2)7-9-4-6(3-8)10-7;;/h4-5H,3,8H2,1-2H3;2*1H
InChIKeySPRLLESZVLZCJY-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.57
Rot. Bonds2

About (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride

(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride (PubChem CID 155973688) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride
PubChem CID155973688
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride
SMILESCC(C)c1ncc(CN)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-5(2)7-9-4-6(3-8)10-7;;/h4-5H,3,8H2,1-2H3;2*1H
InChIKeySPRLLESZVLZCJY-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride (CID 155973688) is (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride is CC(C)c1ncc(CN)s1.Cl.Cl.
What is the InChIKey of (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is SPRLLESZVLZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-5(2)7-9-4-6(3-8)10-7;;/h4-5H,3,8H2,1-2H3;2*1H.
What are the key properties of (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
(2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).