4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine

C14H24N2S2 — CID 61333414

IUPAC4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCSCC1
InChIInChI=1S/C14H24N2S2/c1-4-7-15-14(5-8-17-9-6-14)13-16-12(10-18-13)11(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyLQYWTMVOZCILEE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.99
Rot. Bonds5

About 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine

4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine (PubChem CID 61333414) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
PubChem CID61333414
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCSCC1
InChIInChI=1S/C14H24N2S2/c1-4-7-15-14(5-8-17-9-6-14)13-16-12(10-18-13)11(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyLQYWTMVOZCILEE-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine?
The IUPAC name of 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine (CID 61333414) is 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine.
What is the SMILES notation for 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine?
The canonical SMILES for 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine is CCCNC1(c2nc(C(C)C)cs2)CCSCC1.
What is the InChIKey of 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine?
The InChIKey is LQYWTMVOZCILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-4-7-15-14(5-8-17-9-6-14)13-16-12(10-18-13)11(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine?
4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine has a molecular weight of 284.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine is sourced from PubChem (CID 61333414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).