N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C15H28N4S — CID 63917430

IUPACN'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)NCc1sc(N(C)CCN(C)C)nc1C1CC1
InChIInChI=1S/C15H28N4S/c1-11(2)16-10-13-14(12-6-7-12)17-15(20-13)19(5)9-8-18(3)4/h11-12,16H,6-10H2,1-5H3
InChIKeyACBKOZJEMOVOKD-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.52
Rot. Bonds8

About N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63917430) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63917430
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)NCc1sc(N(C)CCN(C)C)nc1C1CC1
InChIInChI=1S/C15H28N4S/c1-11(2)16-10-13-14(12-6-7-12)17-15(20-13)19(5)9-8-18(3)4/h11-12,16H,6-10H2,1-5H3
InChIKeyACBKOZJEMOVOKD-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
4-cyclopropyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63916185
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992
4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 63916975
N'-[4-(methoxymethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510420
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
CID 63915980
[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 63917237
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63916176
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 63917430) is N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is CC(C)NCc1sc(N(C)CCN(C)C)nc1C1CC1.
What is the InChIKey of N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is ACBKOZJEMOVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-11(2)16-10-13-14(12-6-7-12)17-15(20-13)19(5)9-8-18(3)4/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 296.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63917430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).