N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine

C16H29N3OS — CID 82734715

IUPACN-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C2CCOC2C)sc1CNC(C)C
InChIInChI=1S/C16H29N3OS/c1-6-7-13-15(10-17-11(2)3)21-16(18-13)19(5)14-8-9-20-12(14)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyQWWBWFXULSGUGW-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.21
Rot. Bonds7

About N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine

N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 82734715) has the molecular formula C16H29N3OS and a molecular weight of 311.49 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID82734715
Molecular FormulaC16H29N3OS
Molecular Weight311.49 g/mol
Exact Mass311.20
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C2CCOC2C)sc1CNC(C)C
InChIInChI=1S/C16H29N3OS/c1-6-7-13-15(10-17-11(2)3)21-16(18-13)19(5)14-8-9-20-12(14)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyQWWBWFXULSGUGW-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine (CID 82734715) is N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C2CCOC2C)sc1CNC(C)C.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is QWWBWFXULSGUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-7-13-15(10-17-11(2)3)21-16(18-13)19(5)14-8-9-20-12(14)4/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 311.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82734715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).