1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine

C14H29N3S — CID 54958396

IUPAC1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine
SMILESCC(C)CC1CSC(NC(CN(C)C)C(C)C)=N1
InChIInChI=1S/C14H29N3S/c1-10(2)7-12-9-18-14(15-12)16-13(11(3)4)8-17(5)6/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyMMDXVSRXGOQOGX-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.68
Rot. Bonds6

About 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine (PubChem CID 54958396) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine
PubChem CID54958396
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine
SMILESCC(C)CC1CSC(NC(CN(C)C)C(C)C)=N1
InChIInChI=1S/C14H29N3S/c1-10(2)7-12-9-18-14(15-12)16-13(11(3)4)8-17(5)6/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyMMDXVSRXGOQOGX-UHFFFAOYSA-N
XLogP2.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine (CID 54958396) is 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine is CC(C)CC1CSC(NC(CN(C)C)C(C)C)=N1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine?
The InChIKey is MMDXVSRXGOQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-10(2)7-12-9-18-14(15-12)16-13(11(3)4)8-17(5)6/h10-13H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine has a molecular weight of 271.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]butane-1,2-diamine is sourced from PubChem (CID 54958396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).